Vitas-M small molecule compound

(4E)-4-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione

Catalog ID
STK002951
SMILES CCOc1cc(ccc1OCCOc1c(C)cccc1C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-4-33-25-18-21(17-23-27(31)29-30(28(23)32)22-11-6-5-7-12-22)13-14-24(25)34-15-16-35-26-19(2)9-8-10-20(26)3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,31)/b23-17+
InChIKey
YNVUBICIQKEDRQ-HAVVHWLPSA-N
Synonyms

(4E)4((4(2(26DIMETHYLPHENOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(4(2(26DIMETHYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCOC4=C(C=CC=C4C)C
CCOc1cc(ccc1OCCOc1c(C)cccc1C)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC28H28N2O5c1433251821(172327(31)2930(28(23)32)22116571222)131424(25)341516352619(2)981020(26)3h5141718H41516H213H3(H2931)b2317+
MFCD03228062
STK002951
ZINC000008916215
ZINC08916215
ZINC8916215

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Available files

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